| SpectraBase Compound ID | CM9fkLrInUa |
|---|---|
| InChI | InChI=1S/C16H23ClO4/c1-3-12(2)21-16(19)10-6-9-15(18)20-11-13-7-4-5-8-14(13)17/h1,12-14H,4-11H2,2H3 |
| InChIKey | GSHXLKDRXZKNSM-UHFFFAOYSA-N |
| Mol Weight | 314.81 g/mol |
| Molecular Formula | C16H23ClO4 |
| Exact Mass | 314.128487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2oI6sdQZaJw |
|---|---|
| Name | Glutaric acid, (2-chlorocyclohexyl)methyl but-3-yn-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.128486917 u |
| Formula | C16H23ClO4 |
| InChI | InChI=1S/C16H23ClO4/c1-3-12(2)21-16(19)10-6-9-15(18)20-11-13-7-4-5-8-14(13)17/h1,12-14H,4-11H2,2H3 |
| InChIKey | GSHXLKDRXZKNSM-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C#C)C)=O)C(OCC1C(CCCC1)Cl)=O |